3-[(6-aminopurin-9-yl)-iodanyl-methoxy]propyl 2-methylpropanoate

Systemtic Name: 3-[(6-aminopurin-9-yl)-iodanyl-methoxy]propyl 2-methylpropanoate Openeye Name: 3-[(6-aminopurin-9-yl)-iodo-methoxy]propyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 3-[(6-aminopurin-9-yl)-iodomethoxy]propyl ester IUPAC Name: 3-[(6-aminopurin-9-yl)-iodomethoxy]propyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 3-[adenin-9-yl(iodo)methoxy]propyl ester Formula: C13H18IN5O3 MolecularWeight: 419.21819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCCOC(N1C=NC2=C1N=CN=C2N)I

Isomeric SMILES

CC(C)C(=O)OCCCOC(N1C=NC2=C1N=CN=C2N)I

InChI

InChI=1S/C13H18IN5O3/c1-8(2)12(20)21-4-3-5-22-13(14)19-7-18-9-10(15)16-6-17-11(9)19/h6-8,13H,3-5H2,1-2H3,(H2,15,16,17)